About gnps data problems

huibinshen / fingerid

Molecular fingerprint prediction from MS/MS (FingerID).

Apache License 2.0

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About gnps data problems #7

Open taipingqu opened 6 years ago

taipingqu commented 6 years ago

hi,I already have 20,000 GNPS data, and I have used sirius to calculate the fragment tree. If I want to use shen2014_ISMB2014.py, do I need to write an gnps's parser.py about the gnps dataset myself？

huibinshen commented 6 years ago

Hi, yes, you will need to have your own. Another option is to use Sirius + CSI-FingerID https://bio.informatik.uni-jena.de/software/sirius/.